COMPUTER SIMULATION OF URETHANE FORMATION.

Liang-Yuan Shy, B. E. Eichinger

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The algorithm that simulates random polycondensation has been developed in previous work. The simulations yield accurate estimates of gel points, the extent of cyclization, cycle rank, and sol distributions. In the experiments, triols with oxypropylene repeating units were condensed with hexamethylene diisocyanate. The number average molecular weight (MW) of the triol was 3000 and the functionality was about 2. 95. In this paper the effects of MW distribution and side reactions on extents of cyclization, sol structures and gel points are illuminated.

Original languageEnglish
Title of host publicationPolymeric Materials Science and Engineering, Proceedings of the ACS Division of Polymeric Material
PublisherACS
Pages560-564
Number of pages5
Volume52
ISBN (Print)0841208824
Publication statusPublished - 1985

Fingerprint

Cyclization
Sols
Gels
Computer simulation
Molecular weight distribution
Polycondensation
Molecular weight
Experiments

All Science Journal Classification (ASJC) codes

  • Engineering(all)

Cite this

Shy, L-Y., & Eichinger, B. E. (1985). COMPUTER SIMULATION OF URETHANE FORMATION. In Polymeric Materials Science and Engineering, Proceedings of the ACS Division of Polymeric Material (Vol. 52, pp. 560-564). ACS.
Shy, Liang-Yuan ; Eichinger, B. E. / COMPUTER SIMULATION OF URETHANE FORMATION. Polymeric Materials Science and Engineering, Proceedings of the ACS Division of Polymeric Material. Vol. 52 ACS, 1985. pp. 560-564
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Shy, L-Y & Eichinger, BE 1985, COMPUTER SIMULATION OF URETHANE FORMATION. in Polymeric Materials Science and Engineering, Proceedings of the ACS Division of Polymeric Material. vol. 52, ACS, pp. 560-564.

COMPUTER SIMULATION OF URETHANE FORMATION. / Shy, Liang-Yuan; Eichinger, B. E.

Polymeric Materials Science and Engineering, Proceedings of the ACS Division of Polymeric Material. Vol. 52 ACS, 1985. p. 560-564.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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AB - The algorithm that simulates random polycondensation has been developed in previous work. The simulations yield accurate estimates of gel points, the extent of cyclization, cycle rank, and sol distributions. In the experiments, triols with oxypropylene repeating units were condensed with hexamethylene diisocyanate. The number average molecular weight (MW) of the triol was 3000 and the functionality was about 2. 95. In this paper the effects of MW distribution and side reactions on extents of cyclization, sol structures and gel points are illuminated.

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Shy L-Y, Eichinger BE. COMPUTER SIMULATION OF URETHANE FORMATION. In Polymeric Materials Science and Engineering, Proceedings of the ACS Division of Polymeric Material. Vol. 52. ACS. 1985. p. 560-564